| SpectraBase Spectrum ID |
KGVKIN0tAoq |
| Name |
22-Cyano-17.alpha.-hydroxy-3.beta.-tetrahydropyran-2'-yloxypreg-5-ene |
| Alternate Name(s) |
(3beta,17alpha,20R)-20-hydroxy-17-methyl-3-(tetrahydro-2H-pyran-2-yloxy)pregn-5-ene-21-nitrile |
| CAS Registry Number |
67504-73-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H41NO3 |
| InChI |
InChI=1S/C27H41NO3/c1-25-12-9-19(31-24-6-4-5-15-30-24)16-18(25)7-8-20-21(25)10-13-26(2)22(20)11-14-27(26,3)23(29)17-28/h7,19-24,29H,4-6,8-16H2,1-3H3/t19-,20+,21-,22-,23?,24?,25-,26-,27-/m0/s1 |
| InChIKey |
ZUOYMIARYATGBZ-AGONRXKRSA-N |
| Molecular Weight |
427.629 g/mol |
| SMILES |
OC(C#N)[C@]1([C@@]2([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC2OCCCC2)(C4)[H])C)[H])(CC1)[H])C)C |
| SPLASH |
splash10-004i-3359000000-0f3bc8f7e97a4ac18758 |
| Source of Spectrum |
J-43-4376-0 |
| Wiley ID |
1380465 |
